1(2H)-Phthalazinone

HCID 8394

Basic information

CAS
119-39-1
Standard SMILES
O=c1[nH]ncc2ccccc12
InChIKey
IJAPPYDYQCXOEF-UHFFFAOYSA-N
Molecular formula
C8H6N2O
Average molar mass
146.15 g/mol
Monoisotopic mass
146.04801281

Overview

1-(2h)-phthalazinone appears as pale yellow crystals. Insoluble in water. (NTP, 1992)

Names & identifiers

Preferred name
1(2H)-Phthalazinone
IUPAC
2H-phthalazin-1-one
English name
1-hydroxyphthalazine
Molecular weight
0

Names & synonyms

1(2H)-PHTHALAZINONE119-39-1Phthalazin-1(2H)-onePhthalazonePhthalazin-1-one1-PhthalazinolDTXSID4025903463ZJB0EI2CHEBI:34023DTXCID505903RefChem:863029204-319-8
Show more names
Phthalazinol (9CI)
Phthalazinone2H-Phthalazin-1-onephthalazin-1-ol1-Hydroxyphthalazine1(2H)Phthalazinone1,2-dihydrophthalazin-1-oneMFCD000068921-phthalazinone

Database identifiers

CAS
119-39-1、62054-23-3
PubChem CID
8394
DTXSID
DTXSID4025903
ChEMBL
CHEMBL124706
ChEBI
CHEBI:34023
UNII
463ZJB0EI2
EC Number
204-319-8
Nikkaji
J3.096.279F、J36.830J

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
41.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
11

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Other Nitrogen Rings
PesticidesPesticide degradation product
LogP0.75
SolubilityInsoluble (NTP, 1992)
Boiling Point639 °F at 760 mmHg (NTP, 1992)
Melting Point361 to 363 °F (NTP, 1992)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 07-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21566

1(2H)-Phthalazinone: Does not have an individual approval but may be used under an appropriate group standard

Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Hazards SummaryMay cause irritation; [Aldrich MSDS]
Reactive GroupAmides and Imides
Reactivity ProfileThis material reacts with strong oxidizing agents and strong bases [Sigma-Aldrich MSDS].
Air and Water ReactionsInsoluble in water.

Safety & protection

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 item

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Toxicology

Non-Human Toxicity Excerpts · 1 item

1(2H)-Phthalazinone (PA) was tested for mutagenicity in the Salmonella/microsome preincubation assay using a protocol approved by the National Toxicology Program. PA was tested over a wide range of doses (0, 100, 333, 1000, 3333, and 10,000 ug/plate) in four Salmonella typhimurium strains (TA98, TA100, TA1535, and TA1537) in the presence and absence of Aroclor-induced rat or hamster liver S9. PA was negative in these tests and the highest ineffective dose level tested in any Salmonella tester strain was 10,000 ug/plate.

USGS Health-Based Screening Levels for Evaluating Water-Quality · 3 items

Phthalazinone

Pesticide degradation product

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

Chemistry & industry

Uses & manufacturing

Uses · 2 items

Used as a chemical intermediate for hydralazine (antihypertensive agent); [HSDB]

CHEM INT FOR HYDRALAZINE, AN ANTIHYPERTENSIVE AGENT

U.S. Exports · 2 items

(1977) No Data

(1979) No Data

U.S. Imports · 2 items

(1976) 6.47X10+6 GRAMS (PRINCPL CUSTMS DISTS)

(1979) 6.01X10+5 GRAMS (PRINCPL CUSTMS DISTS)

U.S. Production · 2 items

(1977) 1.30X10+8 GRAMS

(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS

Consumption PatternsPROBABLY 100% AS A CHEMICAL INTERMEDIATE
Methods of ManufacturingREACTION OF PHTHALALDEHYDIC ACID WITH HYDRAZINE

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Additional notes

DefinitionChEBI: Phthalazin-1(2H)-one is a member of phthalazines.

Related reactions

32 records

Compound notes

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